Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 246-771-9 | CAS number: 25265-77-4
Henry's Law constant
Administrative data
- Endpoint:
- Henry's law constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2009
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR (EPIWIN HENRYWIN) used and acceptable in accordance with REACH Annex XI.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- publication
- Title:
- The Intrinsic hydrophilic character of Organic compounds. Correlation in terms of structural contribution. 1975
- Author:
- Hine J, Mookerjee, PK
- Year:
- 2 009
- Bibliographic source:
- J. Org. Chem. 40:292-298. EPISUITE-HENRYWIN, ESTIMATION PROGRAM INTERFACE, U.S. EPA
- Report date:
- 2009
Materials and methods
Test guideline
- Guideline:
- other: QSAR (EPIWIN-HENRYWIN) used and acceptable in accordance with REACH Annex XI.
- Principles of method if other than guideline:
- QSAR (EPIWIN_HENRYWIN)
- GLP compliance:
- not specified
Test material
- Reference substance name:
- 25265774
- IUPAC Name:
- 25265774
- Reference substance name:
- Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentane diol
- IUPAC Name:
- Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentane diol
- Reference substance name:
- Isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol
- EC Number:
- 246-771-9
- EC Name:
- Isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol
- Cas Number:
- 25265-77-4
- Molecular formula:
- C12H24O3
- IUPAC Name:
- 3-hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate
- Reference substance name:
- 3-hydroxy-2,2,4-trimethylpentyl isobutyrate
- EC Number:
- 201-049-2
- EC Name:
- 3-hydroxy-2,2,4-trimethylpentyl isobutyrate
- Cas Number:
- 77-68-9
- Molecular formula:
- C12H24O3
- IUPAC Name:
- 3-hydoxy-2,2,4-trimethylpentyl isobutyrate
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Results and discussion
Henry's Law constant H
- H:
- 0 atm m³/mol
- Temp.:
- 25 °C
- Atm. press.:
- 1 013 hPa
Applicant's summary and conclusion
- Conclusions:
- Henry's Law Constant is estimated to be = 1.07E-007 atm-m3/mole at 25 deg C..
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
